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	hartrees
Energy at 0K	-2665.617064
Energy at 298.15K
HF Energy	-2664.784560
Nuclear repulsion energy	125.393784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2248	2153
2	Σ	600	574
3	Π	344	329
3	Π	343	329

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.133
N2	0.000	0.000	-2.293
Br3	0.000	0.000	0.653

	C1	N2	Br3
C1		1.1596	1.7863
N2	1.1596		2.9458
Br3	1.7863	2.9458

All results from a given calculation for BrCN (Cyanogen bromide)

using model chemistry: CCSD(T)=FULL/aug-cc-pVQZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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